Dichloromethane → N-[2-(2-Dimethylamino-ethyl)-1-oxo-1,2-dihydro-isoquinolin-5-yl]-2-p-tolyl-acetamide

HRID 1223433Notes

Reaction equation

HRID 1223433 reaction equation
[CH2:62]([Cl:63])[Cl:64].[CH:53]([N:54]([CH2:55][CH3:56])[CH:57]([CH3:58])[CH3:59])([CH3:60])[CH3:61].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH2:13][CH2:14][N:15]([CH3:16])[CH3:17])[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1.[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[c:42]1([CH3:52])[cH:43][cH:44][c:45]([CH2:48][C:49](=[O:50])[OH:51])[cH:46][cH:47]1.[n:25]1([O:26][C:27]([N:28]([CH3:29])[CH3:30])=[N+:31]([CH3:32])[CH3:33])[c:34]2[n:35][cH:36][cH:37][cH:38][c:39]2[n:40][n:41]1>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH2:13][CH2:14][N:15]([CH3:16])[CH3:17])[c:7](=[O:12])[c:8]2[cH:9][cH:10][cH:11]1)[C:49]([CH2:48][c:45]1[cH:44][cH:43][c:42]([CH3:52])[cH:47][cH:46]1)=[O:50]

Participants

7

Reactant 6

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 248474p-Tolylacetic acidHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 595794535-Amino-2-(2-dimethylamino-ethyl)-2H-isoquinolin-1-one

Product 1

HCID 24785068N-[2-(2-Dimethylamino-ethyl)-1-oxo-1,2-dihydro-isoquinolin-5-yl]-2-p-tolyl-acetamide

Sources & evidence

ORD record
ord-432b032419194b48ab696f10a00638ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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